1-[(6-chloranylpyridin-3-yl)methyl]-2-oxidanylidene-N-[3-(2-phenylazanylquinazolin-6-yl)prop-2-ynyl]pyridine-3-carboxamide

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-2-oxidanylidene-N-[3-(2-phenylazanylquinazolin-6-yl)prop-2-ynyl]pyridine-3-carboxamide Openeye Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-1-[(6-chloro-3-pyridyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-[3-(2-anilino-6-quinazolinyl)prop-2-ynyl]-1-[(6-chloro-3-pyridinyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-1-[(6-chloropyridin-3-yl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: N-[3-(2-anilinoquinazolin-6-yl)prop-2-ynyl]-1-[(6-chloro-3-pyridyl)methyl]-2-keto-nicotinamide Formula: C29H21ClN6O2 MolecularWeight: 520.96904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)C#CCNC(=O)C4=CC=CN(C4=O)CC5=CN=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C3C=C(C=CC3=N2)C#CCNC(=O)C4=CC=CN(C4=O)CC5=CN=C(C=C5)Cl

InChI

InChI=1S/C29H21ClN6O2/c30-26-13-11-21(17-32-26)19-36-15-5-9-24(28(36)38)27(37)31-14-4-6-20-10-12-25-22(16-20)18-33-29(35-25)34-23-7-2-1-3-8-23/h1-3,5,7-13,15-18H,14,19H2,(H,31,37)(H,33,34,35)